Geometry & MOs

Info

ID:

447126

PubChem CID:

135280473

Reduced:

ON2C20H20 (1)

Stoich.:

AB2C20D20 (1)

Weight, g/mol:

659.323833

ΔHf, kcal/mol:

37.33

Dipole, Da:

2.6

IP(EA), eV:

 -8.5(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C=C)C2=CC3=C(C=C2)C=C(N3)C4CNC4)O

DOS

IR

Vibrations